Stacking Misalignments in Bilayer Graphene

Abstract

The electronic-structure of a bilayer graphene is different from the single layer graphene due to coupling between the two layers. This coupling is a function of stacking distance as well as relative orientation of the two layers. We computationally study the electronic structure and electric-field modulation for these stacking misalignments in Bernal (Atilde - B) stacked bilayer graphene using the extended Huckel theory. We report that certain stacking misalignments, either induced from adjacent dielectrics or stress, would lead to various characteristics of electronic-structure and out-of-plane electric-field modulation, which can have a significant effect on band gap opening.